Dear Users, I have a couple of questions regarding Xcrysden. 1. Usually xcrysden files use the following format:
PRIMVEC 5.5246078800 0.0000000000 0.0000000000 0.0000000000 3.9064878040 0.0000000000 0.0000000000 0.0000000000 19.5324384880 PRIMCOORD 14 1 31 0.3031580950 0.0000000000 -0.3114762280 31 2.6436116560 1.9532436370 -1.8580462820 31 -0.0518106620 0.0000000000 -3.8817233780 31 2.7623039400 1.9532436370 -5.8597314410 31 0.0000000000 0.0000000000 -7.8129756070 31 2.7623039400 1.9532436370 -9.7662192440 33 1.4763662580 1.9532436370 0.3364242780 where atomic positions are not written in crystal co-ordinates. Is it possible to specify atomic positions in crystal co-ordinates in any of .xyz or .xsf xcrysden input files (except .pwi or .pwo files). 2. How to print the thermometer in Xcrysden??? Everytime I get an error saying "could not execute /usr/bin/convert". I'll be highly obliged if anyone kindly discuss the above issues. regards, SKS JNCASR Bangalore